CID 74104

1-(difluoromethoxy)-4-methylbenzene

Structural Information

Molecular Formula
C8H8F2O
SMILES
CC1=CC=C(C=C1)OC(F)F
InChI
InChI=1S/C8H8F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5,8H,1H3
InChIKey
DJDQNISEJVPQCS-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

922
Patents

158.05432 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06160 127.4
[M+Na]+ 181.04354 136.0
[M-H]- 157.04704 128.8
[M+NH4]+ 176.08814 148.4
[M+K]+ 197.01748 134.5
[M+H-H2O]+ 141.05158 120.3
[M+HCOO]- 203.05252 149.4
[M+CH3COO]- 217.06817 177.8
[M+Na-2H]- 179.02899 133.1
[M]+ 158.05377 125.8
[M]- 158.05487 125.8
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