CID 14853

3-chloro-4-methylphenol

Structural Information

Molecular Formula
C7H7ClO
SMILES
CC1=C(C=C(C=C1)O)Cl
InChI
InChI=1S/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
InChIKey
VQZRLBWPEHFGCD-UHFFFAOYSA-N
Compound name
3-chloro-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1288
Patents

142.01854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02582 123.0
[M+Na]+ 165.00776 138.0
[M+NH4]+ 160.05236 133.0
[M+K]+ 180.98170 130.8
[M-H]- 141.01126 125.7
[M+Na-2H]- 162.99321 131.2
[M]+ 142.01799 126.3
[M]- 142.01909 126.3
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