CID 43446411

4-(ethenesulfonyl)-2-(trifluoromethyl)benzonitrile

Structural Information

Molecular Formula
C10H6F3NO2S
SMILES
C=CS(=O)(=O)C1=CC(=C(C=C1)C#N)C(F)(F)F
InChI
InChI=1S/C10H6F3NO2S/c1-2-17(15,16)8-4-3-7(6-14)9(5-8)10(11,12)13/h2-5H,1H2
InChIKey
GQUDCTVMIJTTOO-UHFFFAOYSA-N
Compound name
4-ethenylsulfonyl-2-(trifluoromethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.00714 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.01442 156.3
[M+Na]+ 283.99636 168.0
[M-H]- 259.99986 157.1
[M+NH4]+ 279.04096 172.0
[M+K]+ 299.97030 164.0
[M+H-H2O]+ 244.00440 142.3
[M+HCOO]- 306.00534 167.1
[M+CH3COO]- 320.02099 202.6
[M+Na-2H]- 281.98181 158.5
[M]+ 261.00659 150.4
[M]- 261.00769 150.4
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.