CID 2734874

4-fluoro-3-methylbenzaldehyde

Structural Information

Molecular Formula
C8H7FO
SMILES
CC1=C(C=CC(=C1)C=O)F
InChI
InChI=1S/C8H7FO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
InChIKey
NRFKZFFVTGGEQF-UHFFFAOYSA-N
Compound name
4-fluoro-3-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

822
Patents

138.0481 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05538 121.9
[M+Na]+ 161.03732 132.0
[M-H]- 137.04082 125.1
[M+NH4]+ 156.08192 144.2
[M+K]+ 177.01126 130.0
[M+H-H2O]+ 121.04536 116.2
[M+HCOO]- 183.04630 146.3
[M+CH3COO]- 197.06195 174.4
[M+Na-2H]- 159.02277 129.0
[M]+ 138.04755 121.9
[M]- 138.04865 121.9
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

patents stripe