CID 137964711

(3-methyl-4-nitrophenyl)methanesulfonyl fluoride

Structural Information

Molecular Formula
C8H8FNO4S
SMILES
CC1=C(C=CC(=C1)CS(=O)(=O)F)[N+](=O)[O-]
InChI
InChI=1S/C8H8FNO4S/c1-6-4-7(5-15(9,13)14)2-3-8(6)10(11)12/h2-4H,5H2,1H3
InChIKey
CTXAUWZVQQUSAE-UHFFFAOYSA-N
Compound name
(3-methyl-4-nitrophenyl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.01581 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.02309 142.4
[M+Na]+ 256.00503 151.2
[M-H]- 232.00853 145.6
[M+NH4]+ 251.04963 160.0
[M+K]+ 271.97897 144.3
[M+H-H2O]+ 216.01307 140.5
[M+HCOO]- 278.01401 161.2
[M+CH3COO]- 292.02966 180.8
[M+Na-2H]- 253.99048 148.4
[M]+ 233.01526 142.9
[M]- 233.01636 142.9
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.