CID 2782748

5-fluoro-2-hydroxy-3-methylbenzaldehyde

Structural Information

Molecular Formula
C8H7FO2
SMILES
CC1=CC(=CC(=C1O)C=O)F
InChI
InChI=1S/C8H7FO2/c1-5-2-7(9)3-6(4-10)8(5)11/h2-4,11H,1H3
InChIKey
FDUNAMXDKSETQT-UHFFFAOYSA-N
Compound name
5-fluoro-2-hydroxy-3-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

154.04301 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05029 125.4
[M+Na]+ 177.03223 136.0
[M-H]- 153.03573 127.6
[M+NH4]+ 172.07683 146.6
[M+K]+ 193.00617 133.5
[M+H-H2O]+ 137.04027 120.0
[M+HCOO]- 199.04121 148.5
[M+CH3COO]- 213.05686 174.9
[M+Na-2H]- 175.01768 131.2
[M]+ 154.04246 125.3
[M]- 154.04356 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe