CID 1277672

Thiocyanic acid, 4-methoxyphenyl ester

Structural Information

Molecular Formula
C8H7NOS
SMILES
COC1=CC=C(C=C1)SC#N
InChI
InChI=1S/C8H7NOS/c1-10-7-2-4-8(5-3-7)11-6-9/h2-5H,1H3
InChIKey
IPIDKUNLAGUKAZ-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

165.02484 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.03212 135.0
[M+Na]+ 188.01406 146.2
[M-H]- 164.01756 139.5
[M+NH4]+ 183.05866 154.6
[M+K]+ 203.98800 143.5
[M+H-H2O]+ 148.02210 123.3
[M+HCOO]- 210.02304 151.6
[M+CH3COO]- 224.03869 189.3
[M+Na-2H]- 185.99951 139.4
[M]+ 165.02429 133.3
[M]- 165.02539 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe