CID 6898

2-chloro-6-methylphenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

97
References

21886
Patents

142.01854 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02582 122.8
[M+Na]+ 165.00776 133.4
[M-H]- 141.01126 126.0
[M+NH4]+ 160.05236 145.3
[M+K]+ 180.98170 129.7
[M+H-H2O]+ 125.01580 119.4
[M+HCOO]- 187.01674 142.3
[M+CH3COO]- 201.03239 170.8
[M+Na-2H]- 162.99321 130.0
[M]+ 142.01799 124.3
[M]- 142.01909 124.3
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