CID 167729669

2-bromo-4-(difluoromethyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C7H6BrF2NO2S
SMILES
C1=CC(=C(C=C1C(F)F)Br)S(=O)(=O)N
InChI
InChI=1S/C7H6BrF2NO2S/c8-5-3-4(7(9)10)1-2-6(5)14(11,12)13/h1-3,7H,(H2,11,12,13)
InChIKey
FYWZSNLXOHOAHW-UHFFFAOYSA-N
Compound name
2-bromo-4-(difluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.92706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.93434 141.6
[M+Na]+ 307.91628 154.5
[M-H]- 283.91978 145.6
[M+NH4]+ 302.96088 161.2
[M+K]+ 323.89022 141.7
[M+H-H2O]+ 267.92432 140.0
[M+HCOO]- 329.92526 155.8
[M+CH3COO]- 343.94091 194.3
[M+Na-2H]- 305.90173 145.6
[M]+ 284.92651 158.5
[M]- 284.92761 158.5
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.