CID 61355822

1306081-70-8

Structural Information

Molecular Formula
C12H10ClNO4
SMILES
C1=CC2=C(C(=C1)Cl)N(C(=O)C2=O)CCCC(=O)O
InChI
InChI=1S/C12H10ClNO4/c13-8-4-1-3-7-10(8)14(12(18)11(7)17)6-2-5-9(15)16/h1,3-4H,2,5-6H2,(H,15,16)
InChIKey
UHVPIOOBAATFFJ-UHFFFAOYSA-N
Compound name
4-(7-chloro-2,3-dioxoindol-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02985 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03713 154.5
[M+Na]+ 290.01907 165.2
[M-H]- 266.02257 157.0
[M+NH4]+ 285.06367 173.2
[M+K]+ 305.99301 160.2
[M+H-H2O]+ 250.02711 149.6
[M+HCOO]- 312.02805 170.2
[M+CH3COO]- 326.04370 193.3
[M+Na-2H]- 288.00452 156.2
[M]+ 267.02930 158.8
[M]- 267.03040 158.8
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

No patent data available for this compound.