CID 61024564

4-fluoro-2-(methanesulfonylmethyl)aniline

Structural Information

Molecular Formula
C8H10FNO2S
SMILES
CS(=O)(=O)CC1=C(C=CC(=C1)F)N
InChI
InChI=1S/C8H10FNO2S/c1-13(11,12)5-6-4-7(9)2-3-8(6)10/h2-4H,5,10H2,1H3
InChIKey
TZQWYPVLRUDFOQ-UHFFFAOYSA-N
Compound name
4-fluoro-2-(methylsulfonylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04163 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04891 138.2
[M+Na]+ 226.03085 147.8
[M-H]- 202.03435 140.9
[M+NH4]+ 221.07545 157.7
[M+K]+ 242.00479 144.3
[M+H-H2O]+ 186.03889 131.9
[M+HCOO]- 248.03983 156.2
[M+CH3COO]- 262.05548 184.0
[M+Na-2H]- 224.01630 141.6
[M]+ 203.04108 138.6
[M]- 203.04218 138.6
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.