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

879
Patents

138.0481 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.055376 121.9
[M+Na]+ 161.037318 132.0
[M-H]- 137.040824 125.1
[M+NH4]+ 156.081923 144.2
[M+K]+ 177.011258 130.0
[M+H-H2O]+ 121.045360 116.2
[M+HCOO]- 183.046301 146.3
[M+CH3COO]- 197.061951 174.4
[M+Na-2H]- 159.022766 129.0
[M]+ 138.04755142 121.9
[M]- 138.04864858 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