CID 139489462

2376389-34-1

Structural Information

Molecular Formula
C11H12BrFN2O2
SMILES
CC[C@H](C(=O)NC1=CC(=C(C=C1)C(=O)N)F)Br
InChI
InChI=1S/C11H12BrFN2O2/c1-2-8(12)11(17)15-6-3-4-7(10(14)16)9(13)5-6/h3-5,8H,2H2,1H3,(H2,14,16)(H,15,17)/t8-/m1/s1
InChIKey
QLYMODAZQKOBHU-MRVPVSSYSA-N
Compound name
4-[[(2R)-2-bromobutanoyl]amino]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

302.00662 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.01390 160.3
[M+Na]+ 324.99584 169.3
[M-H]- 300.99934 164.5
[M+NH4]+ 320.04044 177.8
[M+K]+ 340.96978 157.6
[M+H-H2O]+ 285.00388 157.4
[M+HCOO]- 347.00482 179.4
[M+CH3COO]- 361.02047 205.0
[M+Na-2H]- 322.98129 161.8
[M]+ 302.00607 175.6
[M]- 302.00717 175.6
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