CID 2773659

Benzene, 1-chloro-3-fluoro-2-methoxy-4-methyl-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

174.02477 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.032046 128.5
[M+Na]+ 197.013988 140.0
[M-H]- 173.017494 131.8
[M+NH4]+ 192.058593 150.6
[M+K]+ 212.987928 136.6
[M+H-H2O]+ 157.022030 123.7
[M+HCOO]- 219.022971 148.1
[M+CH3COO]- 233.038621 180.3
[M+Na-2H]- 194.999436 134.3
[M]+ 174.02422142 131.5
[M]- 174.02531858 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