CID 2773658

2-chloro-4-fluoro-3-methoxy-1-methylbenzene

Structural Information

Molecular Formula
C8H8ClFO
SMILES
CC1=C(C(=C(C=C1)F)OC)Cl
InChI
InChI=1S/C8H8ClFO/c1-5-3-4-6(10)8(11-2)7(5)9/h3-4H,1-2H3
InChIKey
YFEYEJLNBZOHSD-UHFFFAOYSA-N
Compound name
3-chloro-1-fluoro-2-methoxy-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

174.02477 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03205 128.5
[M+Na]+ 197.01399 140.0
[M-H]- 173.01749 131.8
[M+NH4]+ 192.05859 150.6
[M+K]+ 212.98793 136.6
[M+H-H2O]+ 157.02203 123.7
[M+HCOO]- 219.02297 148.1
[M+CH3COO]- 233.03862 180.3
[M+Na-2H]- 194.99944 134.3
[M]+ 174.02422 131.5
[M]- 174.02532 131.5
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