CID 2774135

1,3-difluoro-2-methoxy-4-methylbenzene

Structural Information

Molecular Formula
C8H8F2O
SMILES
CC1=C(C(=C(C=C1)F)OC)F
InChI
InChI=1S/C8H8F2O/c1-5-3-4-6(9)8(11-2)7(5)10/h3-4H,1-2H3
InChIKey
ZOVHZEAOMNTVFB-UHFFFAOYSA-N
Compound name
1,3-difluoro-2-methoxy-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

158.05432 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06160 125.6
[M+Na]+ 181.04354 136.4
[M-H]- 157.04704 127.7
[M+NH4]+ 176.08814 147.4
[M+K]+ 197.01748 134.6
[M+H-H2O]+ 141.05158 119.0
[M+HCOO]- 203.05252 148.7
[M+CH3COO]- 217.06817 179.3
[M+Na-2H]- 179.02899 131.3
[M]+ 158.05377 125.5
[M]- 158.05487 125.5
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