CID 53484633

(3,4-bis(difluoromethoxy)phenyl)methanol

Structural Information

Molecular Formula
C9H8F4O3
SMILES
C1=CC(=C(C=C1CO)OC(F)F)OC(F)F
InChI
InChI=1S/C9H8F4O3/c10-8(11)15-6-2-1-5(4-14)3-7(6)16-9(12)13/h1-3,8-9,14H,4H2
InChIKey
CXMMIPRPYGDANY-UHFFFAOYSA-N
Compound name
[3,4-bis(difluoromethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

240.04095 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04823 144.1
[M+Na]+ 263.03017 152.4
[M-H]- 239.03367 141.4
[M+NH4]+ 258.07477 160.9
[M+K]+ 279.00411 150.4
[M+H-H2O]+ 223.03821 134.8
[M+HCOO]- 285.03915 161.5
[M+CH3COO]- 299.05480 189.9
[M+Na-2H]- 261.01562 145.5
[M]+ 240.04040 141.1
[M]- 240.04150 141.1
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