CID 90005430

4-(difluoromethoxy)-3-isopropoxybenzamide

Structural Information

Molecular Formula
C11H13F2NO3
SMILES
CC(C)OC1=C(C=CC(=C1)C(=O)N)OC(F)F
InChI
InChI=1S/C11H13F2NO3/c1-6(2)16-9-5-7(10(14)15)3-4-8(9)17-11(12)13/h3-6,11H,1-2H3,(H2,14,15)
InChIKey
ZUVZQJUEVSEJBU-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-3-propan-2-yloxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

245.08635 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09363 151.4
[M+Na]+ 268.07557 158.3
[M-H]- 244.07907 152.0
[M+NH4]+ 263.12017 168.1
[M+K]+ 284.04951 157.2
[M+H-H2O]+ 228.08361 143.2
[M+HCOO]- 290.08455 171.3
[M+CH3COO]- 304.10020 197.3
[M+Na-2H]- 266.06102 151.3
[M]+ 245.08580 150.3
[M]- 245.08690 150.3
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