CID 21762648

144298-09-9

Structural Information

Molecular Formula
C12H13F2NO3
SMILES
CC(C)(C)OC(=O)NC1=C(C(=C(C=C1)F)F)C=O
InChI
InChI=1S/C12H13F2NO3/c1-12(2,3)18-11(17)15-9-5-4-8(13)10(14)7(9)6-16/h4-6H,1-3H3,(H,15,17)
InChIKey
KJSHLMIOGHDRPQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(3,4-difluoro-2-formylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

257.08636 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09364 153.4
[M+Na]+ 280.07558 162.3
[M-H]- 256.07908 155.2
[M+NH4]+ 275.12018 170.7
[M+K]+ 296.04952 160.2
[M+H-H2O]+ 240.08362 145.9
[M+HCOO]- 302.08456 174.4
[M+CH3COO]- 316.10021 197.8
[M+Na-2H]- 278.06103 156.7
[M]+ 257.08581 154.0
[M]- 257.08691 154.0
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