CID 2782724

5-fluoro-2-(methylsulfonyl)benzaldehyde

Structural Information

Molecular Formula
C8H7FO3S
SMILES
CS(=O)(=O)C1=C(C=C(C=C1)F)C=O
InChI
InChI=1S/C8H7FO3S/c1-13(11,12)8-3-2-7(9)4-6(8)5-10/h2-5H,1H3
InChIKey
RNTFMXNEDDIEGZ-UHFFFAOYSA-N
Compound name
5-fluoro-2-methylsulfonylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

202.01 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01728 135.3
[M+Na]+ 224.99922 146.1
[M-H]- 201.00272 138.8
[M+NH4]+ 220.04382 155.4
[M+K]+ 240.97316 143.1
[M+H-H2O]+ 185.00726 129.4
[M+HCOO]- 247.00820 153.5
[M+CH3COO]- 261.02385 181.0
[M+Na-2H]- 222.98467 139.6
[M]+ 202.00945 138.4
[M]- 202.01055 138.4
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

patents stripe