CID 14674274

1-(chloromethyl)-4-(difluoromethoxy)benzene

Structural Information

Molecular Formula
C8H7ClF2O
SMILES
C1=CC(=CC=C1CCl)OC(F)F
InChI
InChI=1S/C8H7ClF2O/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4,8H,5H2
InChIKey
NNWKDZQUVHBHPV-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-(difluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

192.01535 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02263 132.2
[M+Na]+ 215.00457 141.6
[M-H]- 191.00807 133.4
[M+NH4]+ 210.04917 152.8
[M+K]+ 230.97851 138.1
[M+H-H2O]+ 175.01261 125.9
[M+HCOO]- 237.01355 149.8
[M+CH3COO]- 251.02920 181.7
[M+Na-2H]- 212.99002 137.6
[M]+ 192.01480 132.8
[M]- 192.01590 132.8
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