CID 6478650

(e)-2-(2-hydroxyphenyl)sulfanyl-3-phenyl-prop-2-enenitrile

Structural Information

Molecular Formula
C15H11NOS
SMILES
C1=CC=C(C=C1)/C=C(\C#N)/SC2=CC=CC=C2O
InChI
InChI=1S/C15H11NOS/c16-11-13(10-12-6-2-1-3-7-12)18-15-9-5-4-8-14(15)17/h1-10,17H/b13-10+
InChIKey
IPGREYBBWLUJLW-JLHYYAGUSA-N
Compound name
(E)-2-(2-hydroxyphenyl)sulfanyl-3-phenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05614 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06342 165.5
[M+Na]+ 276.04536 175.4
[M-H]- 252.04886 170.3
[M+NH4]+ 271.08996 180.6
[M+K]+ 292.01930 168.4
[M+H-H2O]+ 236.05340 152.4
[M+HCOO]- 298.05434 179.1
[M+CH3COO]- 312.06999 201.2
[M+Na-2H]- 274.03081 167.0
[M]+ 253.05559 160.6
[M]- 253.05669 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.